HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4494",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4492",
"results": [
{
"id": "jvasp-67838",
"created_at": "2022-09-04T14:35:45.707922Z",
"updated_at": "2022-09-04T14:35:45.707955Z",
"structure_string": "Be1 Cu4 Sn1\n1.0\n0.000000 3.456987 3.456987\n3.456987 -0.000000 3.456987\n3.456987 3.456987 0.000000\nBe Cu Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122708 0.625765 0.625765 Cu\n0.625765 0.625765 0.625765 Cu\n0.625765 0.122708 0.625765 Cu\n0.625765 0.625765 0.122708 Cu\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Sn"
],
"chemical_system": "Be-Cu-Sn",
"density": 7.675073640285092,
"density_atomic": 0.07261527987698592,
"volume": 82.62723782328338,
"volume_molar": 8.293214279696809,
"formula_full": "Be1 Cu4 Sn1",
"formula_reduced": "BeCu4Sn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1354966,
"spacegroup": 216
},
{
"id": "jvasp-85365",
"created_at": "2022-09-04T14:35:45.707367Z",
"updated_at": "2022-09-04T14:35:45.707395Z",
"structure_string": "Fe11 Co5\n1.0\n5.681023 -0.000002 -0.000002\n-0.000002 5.681022 -0.000001\n-0.000002 -0.000001 5.667377\nFe Co\n11 5\ndirect\n0.249779 0.249779 0.249943 Fe\n0.249779 0.750221 0.750058 Fe\n0.750221 0.249779 0.249944 Fe\n0.750221 0.249779 0.750057 Fe\n0.500000 0.500000 0.000000 Fe\n0.249779 0.750221 0.249944 Fe\n0.249779 0.249779 0.750056 Fe\n0.750221 0.750221 0.249944 Fe\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.500000 Fe\n0.750221 0.750221 0.750058 Fe\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.251999885079622,
"density_atomic": 0.08747518319210874,
"volume": 182.90901963430676,
"volume_molar": 6.884399140696244,
"formula_full": "Fe11 Co5",
"formula_reduced": "Fe11Co5",
"formula_anonymous": "A5B11",
"energy_above_hull": 4.2254896875000005,
"spacegroup": 123
},
{
"id": "jvasp-15702",
"created_at": "2022-09-04T14:35:45.704879Z",
"updated_at": "2022-09-04T14:35:45.704898Z",
"structure_string": "U2 Ir1 C2\n1.0\n3.369438 -0.000000 -0.904983\n-0.243066 3.360659 -0.904983\n-0.002330 -0.002504 6.716370\nU Ir C\n2 1 2\ndirect\n0.354073 0.354074 0.708147 U\n0.645927 0.645927 0.291855 U\n0.000000 0.000000 0.000000 Ir\n0.829451 0.829453 0.658905 C\n0.170548 0.170549 0.341096 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Ir",
"C"
],
"chemical_system": "C-Ir-U",
"density": 15.1186059892956,
"density_atomic": 0.06575680378117682,
"volume": 76.03775902245529,
"volume_molar": 9.158201758163715,
"formula_full": "U2 Ir1 C2",
"formula_reduced": "U2IrC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 6.011162619999999,
"spacegroup": 139
},
{
"id": "jvasp-14843",
"created_at": "2022-09-04T14:35:45.703398Z",
"updated_at": "2022-09-04T14:35:45.703423Z",
"structure_string": "As4\n1.0\n3.542312 -0.000000 -1.175403\n-0.000000 4.607788 0.000000\n-0.006730 -0.000000 5.905146\nAs\n4\ndirect\n0.890932 0.934497 0.781866 As\n0.109068 0.065504 0.218135 As\n0.609068 0.434497 0.218136 As\n0.390932 0.565504 0.781865 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.165001595613112,
"density_atomic": 0.04151588680054318,
"volume": 96.34865850794412,
"volume_molar": 14.505629589300277,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 0.02549175,
"spacegroup": 64
},
{
"id": "jvasp-68227",
"created_at": "2022-09-04T14:35:45.699998Z",
"updated_at": "2022-09-04T14:35:45.700024Z",
"structure_string": "Be1 Hg1 Rh2\n1.0\n-1.958940 1.958940 3.821153\n1.958940 -1.958940 3.821153\n1.958940 1.958940 -3.821153\nBe Hg Rh\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Hg\n0.000000 0.000000 0.000000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Rh"
],
"chemical_system": "Be-Hg-Rh",
"density": 11.760686785286484,
"density_atomic": 0.06819669124485563,
"volume": 58.65387201320764,
"volume_molar": 8.830546834564023,
"formula_full": "Be1 Hg1 Rh2",
"formula_reduced": "BeHgRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.550524175,
"spacegroup": 119
},
{
"id": "jvasp-96987",
"created_at": "2022-09-04T14:35:45.693751Z",
"updated_at": "2022-09-04T14:35:45.693782Z",
"structure_string": "K4 Cd4 Cl12\n1.0\n4.022288 -0.000000 0.000000\n-0.000000 8.735516 0.000000\n0.000000 0.000000 14.543784\nK Cd Cl\n4 4 12\ndirect\n0.750000 0.576439 0.176692 K\n0.250000 0.423562 0.823307 K\n0.750000 0.076439 0.323307 K\n0.250000 0.923562 0.676692 K\n0.250000 0.172238 0.056820 Cd\n0.250000 0.672238 0.443180 Cd\n0.750000 0.327762 0.556820 Cd\n0.750000 0.827763 0.943180 Cd\n0.750000 0.202593 0.714100 Cl\n0.250000 0.797408 0.285900 Cl\n0.750000 0.476533 0.395295 Cl\n0.750000 0.338352 0.989677 Cl\n0.250000 0.661648 0.010323 Cl\n0.750000 0.838352 0.510323 Cl\n0.250000 0.161648 0.489677 Cl\n0.250000 0.023467 0.895295 Cl\n0.750000 0.976533 0.104705 Cl\n0.250000 0.523468 0.604705 Cl\n0.250000 0.297408 0.214100 Cl\n0.750000 0.702593 0.785899 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-K",
"density": 3.351721330365504,
"density_atomic": 0.03913729924680714,
"volume": 511.02146507034774,
"volume_molar": 15.387215970175287,
"formula_full": "K4 Cd4 Cl12",
"formula_reduced": "KCdCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-66034",
"created_at": "2022-09-04T14:35:45.690484Z",
"updated_at": "2022-09-04T14:35:45.690510Z",
"structure_string": "Ba1 Ta1 Hg1\n1.0\n-0.000000 3.835575 3.835575\n3.835575 0.000000 3.835575\n3.835575 3.835575 0.000000\nBa Ta Hg\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Ta\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Hg"
],
"chemical_system": "Ba-Hg-Ta",
"density": 7.6345235650064,
"density_atomic": 0.02658274475614572,
"volume": 112.85516328431147,
"volume_molar": 22.654322626363587,
"formula_full": "Ba1 Ta1 Hg1",
"formula_reduced": "BaTaHg",
"formula_anonymous": "ABC",
"energy_above_hull": 1.97362659,
"spacegroup": 216
},
{
"id": "jvasp-15310",
"created_at": "2022-09-04T14:35:45.688931Z",
"updated_at": "2022-09-04T14:35:45.688951Z",
"structure_string": "Sm1 Si2 Ru2\n1.0\n3.918075 -0.000000 -1.548593\n-0.612071 3.869972 -1.548593\n-0.015129 -0.017710 5.692556\nSm Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.633253 0.633252 0.266507 Si\n0.366748 0.366747 0.733495 Si\n0.750001 0.250000 0.500001 Ru\n0.250000 0.750000 0.500001 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Sm",
"density": 7.881660153729978,
"density_atomic": 0.05807173360068108,
"volume": 86.1004087527595,
"volume_molar": 10.370175620053075,
"formula_full": "Sm1 Si2 Ru2",
"formula_reduced": "Sm(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.409223415,
"spacegroup": 139
},
{
"id": "jvasp-14579",
"created_at": "2022-09-04T14:35:45.688032Z",
"updated_at": "2022-09-04T14:35:45.688065Z",
"structure_string": "Ba2 Si2\n1.0\n4.150396 0.000000 -0.000000\n0.000000 4.659789 -1.964072\n-0.000000 0.019184 6.555256\nBa Si\n2 2\ndirect\n0.250000 0.858524 0.717049 Ba\n0.750001 0.141476 0.282952 Ba\n0.250000 0.559014 0.118029 Si\n0.750001 0.440985 0.881972 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Si"
],
"chemical_system": "Ba-Si",
"density": 4.327794197293089,
"density_atomic": 0.03151223256454847,
"volume": 126.93483369693185,
"volume_molar": 19.11048589675287,
"formula_full": "Ba2 Si2",
"formula_reduced": "BaSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.7193672849999999,
"spacegroup": 63
},
{
"id": "jvasp-65792",
"created_at": "2022-09-04T14:35:45.682445Z",
"updated_at": "2022-09-04T14:35:45.682488Z",
"structure_string": "Ba1 Cd2 Bi1\n1.0\n4.235881 0.000000 0.000000\n0.000000 4.235881 -0.000000\n0.000000 0.000000 7.243057\nBa Cd Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.712214 Cd\n0.000000 0.000000 0.287786 Cd\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Bi"
],
"chemical_system": "Ba-Bi-Cd",
"density": 7.297501782851951,
"density_atomic": 0.03077872226355176,
"volume": 129.95991080295136,
"volume_molar": 19.565921900310443,
"formula_full": "Ba1 Cd2 Bi1",
"formula_reduced": "BaCd2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.500000000000725e-05,
"spacegroup": 123
},
{
"id": "jvasp-86026",
"created_at": "2022-09-04T14:35:45.682460Z",
"updated_at": "2022-09-04T14:35:45.682481Z",
"structure_string": "La4 Ni3 O8\n1.0\n3.915426 0.000000 -0.582270\n-0.086591 3.914469 -0.582270\n-0.006279 -0.006419 13.413381\nLa Ni O\n4 3 8\ndirect\n0.299175 0.299175 0.598350 La\n0.700826 0.700825 0.401649 La\n0.434058 0.434058 0.868118 La\n0.565943 0.565942 0.131882 La\n0.124011 0.124010 0.248021 Ni\n0.875990 0.875989 0.751979 Ni\n0.000000 0.000000 0.000000 Ni\n0.374056 0.874056 0.748112 O\n0.250000 0.750000 0.500000 O\n0.874057 0.374056 0.748112 O\n0.750001 0.250000 0.500000 O\n0.500000 -0.000000 0.000000 O\n0.625944 0.125944 0.251888 O\n0.125944 0.625944 0.251888 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"La",
"Ni",
"O"
],
"chemical_system": "La-Ni-O",
"density": 6.944905599171304,
"density_atomic": 0.07297312682711105,
"volume": 205.5551221689898,
"volume_molar": 8.25254586427102,
"formula_full": "La4 Ni3 O8",
"formula_reduced": "La4Ni3O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.3015603466666668,
"spacegroup": 139
},
{
"id": "jvasp-90855",
"created_at": "2022-09-04T14:35:45.681994Z",
"updated_at": "2022-09-04T14:35:45.682020Z",
"structure_string": "Nd2 As2 Ru2 O2\n1.0\n4.116438 0.000000 0.000000\n0.000000 4.116438 0.000000\n-0.000000 -0.000000 8.330649\nNd As Ru O\n2 2 2 2\ndirect\n0.750000 0.750000 0.638265 Nd\n0.250000 0.250000 0.361735 Nd\n0.750000 0.750000 0.159260 As\n0.250000 0.250000 0.840740 As\n0.750000 0.250000 0.000000 Ru\n0.250000 0.750000 0.000000 Ru\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nd",
"As",
"Ru",
"O"
],
"chemical_system": "As-Nd-O-Ru",
"density": 7.910381606970567,
"density_atomic": 0.056671928714854575,
"volume": 141.16336220445376,
"volume_molar": 10.626320466876058,
"formula_full": "Nd2 As2 Ru2 O2",
"formula_reduced": "NdAsRuO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.2323218125000004,
"spacegroup": 129
}
]
}